SCHEMBL29953399

SCHEMBL29953399

Cc1ccc(OCC2CCCO2)c(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.47
NPC1 O15118 5/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.42
PDE10A Q9Y233 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
CASP3 P42574 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29955998 0.96 RAB9A (0.46) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL29954455 0.86 TSHR (0.48) RAB9ATSHRNPC1TDP1HPGD
SCHEMBL12180345 0.85 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL29957952 0.82 BRD4 (0.47) MAPTTSHRPOLBNPSR1ALDH1A1
SCHEMBL29951542 0.82 TSHR (0.45) RAB9ASMN1; SMN2TSHRNPC1TDP1
SCHEMBL2035552 0.81 RAB9A (0.49) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL12180342 0.81 PDE10A (0.51) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL29953902 0.79 PTGDR2 (0.41) RAB9ANPC1LMNAHPGD
SCHEMBL1341685 0.78 RAB9A (0.48) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL29950875 0.78 HRH3 (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed